==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-APR-00 1EV9 . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE A1-1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR E.T.ADMAN,I.LE TRONG,R.E.STENKAMP,B.S.NIESLANIK,E.C.DIETZE,G . 642 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31396.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 492 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 34 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 306 47.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 2 2 0 2 4 6 2 2 1 0 0 4 0 0 0 0 2 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A S 0 0 170 0, 0.0 59,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -53.3 9.4 51.0 -1.9 2 3 A G - 0 0 60 1,-0.1 58,-0.1 57,-0.1 0, 0.0 0.486 360.0-109.8 83.9 126.8 8.5 54.3 -3.5 3 4 A K - 0 0 114 26,-0.1 26,-0.2 56,-0.0 -1,-0.1 -0.830 36.6-120.4 -93.6 116.1 10.2 57.6 -2.6 4 5 A P - 0 0 4 0, 0.0 26,-2.8 0, 0.0 2,-0.6 -0.153 19.6-135.5 -53.6 147.1 7.8 59.9 -0.7 5 6 A V E -aB 30 58A 19 53,-2.0 53,-2.5 24,-0.2 2,-0.5 -0.932 16.4-164.0-112.8 120.6 7.1 63.2 -2.1 6 7 A L E -aB 31 57A 0 24,-2.4 26,-2.3 -2,-0.6 2,-0.6 -0.891 4.3-155.5-106.4 131.8 7.2 66.2 0.2 7 8 A H E +a 32 0A 15 49,-2.2 49,-0.4 -2,-0.5 2,-0.3 -0.920 36.7 119.0-108.1 122.1 5.6 69.5 -0.9 8 9 A Y E -a 33 0A 10 24,-1.5 26,-2.7 -2,-0.6 2,-0.1 -0.992 61.8 -79.0-168.5 170.7 6.9 72.6 0.7 9 10 A F E -a 34 0A 20 -2,-0.3 2,-3.1 24,-0.2 26,-0.1 -0.375 60.6 -94.0 -73.3 159.8 8.5 75.9 0.4 10 11 A N S S+ 0 0 68 24,-0.7 2,-0.3 -2,-0.1 -1,-0.1 -0.425 99.2 88.4 -74.4 67.0 12.2 75.9 0.1 11 12 A A S S- 0 0 7 -2,-3.1 4,-0.2 1,-0.2 193,-0.1 -0.976 85.5-111.9-158.7 164.6 12.4 76.4 3.8 12 13 A R >> + 0 0 12 193,-0.5 4,-2.0 -2,-0.3 3,-1.0 0.999 67.5 128.2 -63.3 -66.9 12.6 74.5 7.1 13 14 A G T 34 S- 0 0 29 1,-0.2 4,-0.2 2,-0.2 -1,-0.1 -0.187 90.4 -31.9 48.3-128.2 9.2 75.7 8.4 14 15 A R T 34 S+ 0 0 126 1,-0.1 4,-0.4 2,-0.1 3,-0.3 0.594 135.8 64.8 -97.0 -14.9 7.1 72.7 9.5 15 16 A M T X> S+ 0 0 0 -3,-1.0 4,-2.4 -4,-0.2 3,-0.7 0.736 80.8 81.7 -81.0 -23.3 8.6 70.2 7.0 16 17 A E H 3X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.3 -1,-0.2 0.879 89.6 50.7 -51.0 -43.7 12.0 70.3 8.5 17 18 A C H 3> S+ 0 0 11 -3,-0.3 4,-2.3 -4,-0.2 -1,-0.3 0.854 110.0 51.5 -64.9 -32.7 11.1 67.9 11.2 18 19 A I H <> S+ 0 0 0 -3,-0.7 4,-2.6 -4,-0.4 -1,-0.2 0.884 108.7 50.7 -69.2 -39.8 9.7 65.5 8.6 19 20 A R H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.958 111.1 49.1 -62.5 -46.4 12.9 65.8 6.6 20 21 A F H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.903 111.4 48.8 -59.8 -44.8 14.9 65.0 9.7 21 22 A L H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.933 111.7 48.3 -63.2 -46.7 12.8 62.1 10.6 22 23 A L H >X>S+ 0 0 0 -4,-2.6 5,-2.2 2,-0.2 3,-0.6 0.959 112.6 47.4 -59.6 -51.8 12.9 60.5 7.1 23 24 A A H ><5S+ 0 0 18 -4,-2.6 3,-2.1 1,-0.3 -1,-0.2 0.921 108.8 55.3 -56.3 -43.9 16.7 60.9 6.8 24 25 A A H 3<5S+ 0 0 8 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.833 107.0 51.0 -59.1 -31.2 17.2 59.4 10.2 25 26 A A H <<5S- 0 0 29 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.526 115.4-120.9 -82.7 -5.2 15.2 56.4 9.0 26 27 A G T <<5 + 0 0 46 -3,-2.1 2,-0.6 -4,-0.5 -3,-0.2 0.826 65.1 143.9 69.8 30.0 17.5 56.2 6.0 27 28 A V < - 0 0 25 -5,-2.2 -1,-0.3 -6,-0.1 2,-0.2 -0.912 45.4-137.8-106.0 116.2 14.5 56.6 3.7 28 29 A E - 0 0 143 -2,-0.6 2,-0.3 -3,-0.1 -5,-0.0 -0.511 25.8-170.5 -72.7 143.5 15.3 58.7 0.6 29 30 A F - 0 0 8 -26,-0.2 2,-0.3 -2,-0.2 -24,-0.2 -0.937 19.4-137.6-138.6 156.5 12.7 61.3 -0.4 30 31 A D E -a 5 0A 66 -26,-2.8 -24,-2.4 -2,-0.3 2,-0.3 -0.858 20.6-160.9-110.3 145.7 11.8 63.6 -3.3 31 32 A E E -a 6 0A 21 -2,-0.3 2,-0.6 -26,-0.2 -24,-0.2 -0.950 14.6-154.9-129.8 148.7 10.6 67.1 -2.8 32 33 A K E -a 7 0A 106 -26,-2.3 -24,-1.5 -2,-0.3 2,-0.4 -0.986 25.9-142.9-121.3 111.3 8.8 69.6 -5.0 33 34 A F E -a 8 0A 58 -2,-0.6 2,-0.8 -26,-0.2 -24,-0.2 -0.685 7.8-131.6 -84.1 130.5 9.6 73.0 -3.8 34 35 A I E +a 9 0A 8 -26,-2.7 -24,-0.7 -2,-0.4 185,-0.1 -0.696 40.7 158.2 -78.2 109.3 6.9 75.7 -3.9 35 36 A Q + 0 0 137 -2,-0.8 -1,-0.2 1,-0.2 3,-0.0 0.619 56.0 33.3-108.3 -20.6 8.7 78.5 -5.5 36 37 A S S > S- 0 0 29 1,-0.1 4,-1.9 182,-0.1 -1,-0.2 -0.975 75.9-117.6-136.7 153.8 5.9 80.7 -6.9 37 38 A P H > S+ 0 0 82 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.868 121.7 58.5 -55.5 -31.2 2.3 81.7 -5.8 38 39 A E H > S+ 0 0 88 2,-0.2 4,-3.6 1,-0.2 5,-0.4 0.984 100.2 53.2 -59.2 -54.9 1.5 80.0 -9.0 39 40 A D H > S+ 0 0 46 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.860 113.0 45.4 -47.1 -43.6 3.2 76.8 -7.8 40 41 A L H X S+ 0 0 33 -4,-1.9 4,-2.8 2,-0.2 -1,-0.3 0.916 112.8 47.9 -69.8 -43.7 1.0 77.0 -4.8 41 42 A E H X S+ 0 0 119 -4,-3.0 4,-3.6 2,-0.2 -2,-0.2 0.962 113.3 48.5 -63.1 -46.5 -2.2 77.7 -6.6 42 43 A K H X S+ 0 0 127 -4,-3.6 4,-1.7 1,-0.2 -2,-0.2 0.930 110.7 52.8 -57.6 -42.9 -1.5 75.0 -9.1 43 44 A L H <>S+ 0 0 18 -4,-2.5 5,-0.7 -5,-0.4 -1,-0.2 0.919 113.3 41.9 -58.2 -48.0 -0.8 72.7 -6.1 44 45 A K H ><5S+ 0 0 65 -4,-2.8 3,-2.9 1,-0.2 5,-0.3 0.939 106.6 63.1 -64.0 -47.4 -4.1 73.6 -4.5 45 46 A K H 3<5S+ 0 0 179 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.823 91.6 67.4 -46.0 -37.9 -5.9 73.4 -7.8 46 47 A D T 3<5S- 0 0 100 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.623 103.9-129.5 -61.5 -16.4 -5.0 69.7 -8.0 47 48 A G T < 5S+ 0 0 60 -3,-2.9 -2,-0.1 -4,-0.2 -3,-0.1 0.849 73.9 117.5 68.3 37.2 -7.3 69.0 -5.1 48 49 A N < + 0 0 67 -5,-0.7 2,-0.8 -4,-0.2 -4,-0.1 0.402 47.9 81.4-114.2 -2.1 -4.6 67.1 -3.1 49 50 A L S > S- 0 0 6 -5,-0.3 3,-2.6 -6,-0.2 -1,-0.1 -0.914 70.9-149.7-106.3 104.3 -4.2 69.2 -0.0 50 51 A M T 3 S+ 0 0 147 -2,-0.8 -1,-0.1 13,-0.4 6,-0.0 0.740 98.1 20.8 -44.9 -31.6 -7.0 68.2 2.3 51 52 A F T 3 S- 0 0 115 2,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.029 116.2-101.8-126.9 22.6 -7.1 71.7 3.8 52 53 A D S < S+ 0 0 89 -3,-2.6 2,-0.3 1,-0.2 -2,-0.1 0.833 90.0 105.7 59.5 35.5 -5.4 73.6 1.0 53 54 A Q - 0 0 112 2,-0.1 -2,-0.3 -9,-0.1 -1,-0.2 -0.901 59.9-106.0-140.3 164.4 -2.2 73.6 2.9 54 55 A V S S+ 0 0 21 -2,-0.3 2,-0.2 -3,-0.1 -46,-0.1 -0.894 74.3 86.3-125.0 160.5 1.3 72.0 3.1 55 56 A P + 0 0 5 0, 0.0 11,-1.0 0, 0.0 2,-0.3 0.344 64.1 156.4 -47.5 152.4 3.2 70.0 4.6 56 57 A M E - C 0 65A 1 -49,-0.4 -49,-2.2 9,-0.2 2,-0.5 -0.878 23.1-165.5-165.0 122.8 1.8 67.2 2.5 57 58 A V E -BC 6 64A 0 7,-2.8 7,-2.2 -2,-0.3 2,-0.7 -0.976 14.5-145.1-122.0 128.8 3.6 64.0 1.8 58 59 A E E +BC 5 63A 64 -53,-2.5 -53,-2.0 -2,-0.5 2,-0.3 -0.845 42.9 146.2 -88.9 120.9 2.6 61.6 -0.9 59 60 A I E > - C 0 62A 9 3,-1.9 3,-2.3 -2,-0.7 5,-0.1 -0.917 59.5 -1.7-161.4 133.6 3.4 58.2 0.6 60 61 A D T 3 S- 0 0 76 -2,-0.3 3,-0.1 1,-0.3 -58,-0.1 0.870 129.3 -55.0 53.7 39.1 2.0 54.8 0.4 61 62 A G T 3 S+ 0 0 67 1,-0.3 -1,-0.3 3,-0.0 2,-0.2 0.395 114.2 115.2 78.5 -2.8 -0.8 56.1 -1.9 62 63 A M E < -C 59 0A 67 -3,-2.3 -3,-1.9 2,-0.0 2,-0.6 -0.628 61.2-146.0-100.5 155.7 -1.9 58.8 0.6 63 64 A K E -C 58 0A 83 -2,-0.2 2,-0.7 -5,-0.2 -13,-0.4 -0.813 36.1-171.4-115.1 74.7 -1.7 62.5 0.2 64 65 A L E +C 57 0A 29 -7,-2.2 -7,-2.8 -2,-0.6 2,-0.2 -0.689 9.5 176.6 -80.8 115.7 -1.1 63.0 3.8 65 66 A A E +C 56 0A 15 -2,-0.7 -9,-0.2 -9,-0.3 -11,-0.1 -0.505 38.1 75.6-106.2-179.5 -1.2 66.5 5.1 66 67 A Q S >> S- 0 0 95 -11,-1.0 4,-2.8 -2,-0.2 3,-1.2 0.839 72.2-121.7 77.6 103.3 -0.8 67.8 8.6 67 68 A T H 3> S+ 0 0 17 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.836 111.3 44.0 -34.5 -59.7 2.7 67.9 10.1 68 69 A R H 3> S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.789 112.4 53.1 -64.3 -29.3 1.9 65.7 13.1 69 70 A A H <> S+ 0 0 37 -3,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.940 111.8 45.4 -71.1 -45.8 -0.1 63.3 11.0 70 71 A I H X S+ 0 0 1 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.970 116.1 45.0 -60.0 -55.3 2.7 62.8 8.6 71 72 A L H X S+ 0 0 2 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.866 111.6 53.0 -54.6 -46.2 5.4 62.4 11.4 72 73 A N H X S+ 0 0 60 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.921 111.0 46.9 -56.9 -45.8 3.2 60.1 13.3 73 74 A Y H X S+ 0 0 71 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.929 112.8 48.1 -63.4 -48.5 2.8 57.9 10.3 74 75 A I H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.2 6,-0.3 0.908 108.0 56.4 -60.8 -40.7 6.4 57.9 9.5 75 76 A A H <>S+ 0 0 0 -4,-2.9 5,-2.9 -5,-0.2 6,-0.6 0.927 110.0 43.4 -58.9 -48.4 7.3 57.1 13.0 76 77 A T H ><5S+ 0 0 90 -4,-1.9 3,-2.3 3,-0.2 5,-0.2 0.987 113.7 48.9 -62.1 -57.6 5.2 53.9 13.2 77 78 A K H 3<5S+ 0 0 93 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.803 116.1 43.2 -54.6 -35.1 6.2 52.5 9.7 78 79 A Y T 3<5S- 0 0 55 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.052 112.7-116.7-101.4 27.6 9.9 53.0 10.4 79 80 A D T < 5S+ 0 0 140 -3,-2.3 3,-0.3 1,-0.2 -3,-0.2 0.773 79.1 125.3 44.0 38.9 9.7 51.7 13.9 80 81 A L < + 0 0 12 -5,-2.9 74,-2.7 -6,-0.3 75,-0.2 0.084 50.9 83.1-107.2 21.9 10.8 55.0 15.4 81 82 A Y S S- 0 0 24 -6,-0.6 -1,-0.2 1,-0.3 72,-0.1 0.018 94.4-110.2-116.8 29.0 7.8 55.1 17.7 82 83 A G - 0 0 33 70,-0.3 -1,-0.3 -3,-0.3 3,-0.1 0.043 35.8 -75.8 71.4 175.8 8.7 53.0 20.7 83 84 A K S S- 0 0 174 1,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.804 92.2 -7.1 -83.5 -35.0 7.5 49.6 21.8 84 85 A D S >> S- 0 0 66 -3,-0.0 4,-1.9 0, 0.0 3,-0.5 -0.899 81.1 -63.7-153.1-173.6 4.1 50.3 23.4 85 86 A M T 34 S+ 0 0 143 -2,-0.3 4,-0.1 1,-0.2 -3,-0.0 0.478 122.8 40.9 -55.6 -12.9 1.2 52.3 24.6 86 87 A K T 3> S+ 0 0 167 2,-0.1 4,-1.6 3,-0.1 -1,-0.2 0.697 106.5 58.6-110.0 -29.3 3.2 54.0 27.4 87 88 A E H <> S+ 0 0 29 -3,-0.5 4,-3.2 1,-0.2 -2,-0.2 0.902 105.2 52.8 -66.4 -37.1 6.5 54.7 25.7 88 89 A R H X S+ 0 0 109 -4,-1.9 4,-3.5 2,-0.2 5,-0.2 0.790 101.4 59.7 -70.2 -21.9 4.6 56.8 23.1 89 90 A A H > S+ 0 0 54 -5,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.949 111.1 42.4 -69.6 -43.4 3.0 58.8 25.9 90 91 A L H X S+ 0 0 70 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.968 115.6 47.2 -65.3 -52.0 6.5 59.7 26.8 91 92 A I H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.904 115.8 47.1 -56.7 -42.3 7.6 60.2 23.3 92 93 A D H X S+ 0 0 63 -4,-3.5 4,-2.1 1,-0.2 5,-0.3 0.969 111.8 47.6 -64.8 -54.5 4.5 62.3 22.6 93 94 A M H X S+ 0 0 139 -4,-3.1 4,-0.6 -5,-0.2 -1,-0.2 0.743 116.3 47.8 -59.4 -22.6 4.8 64.4 25.8 94 95 A Y H X S+ 0 0 38 -4,-1.9 4,-1.0 -5,-0.2 -2,-0.2 0.832 109.2 50.2 -89.5 -31.6 8.5 64.9 24.8 95 96 A S H X S+ 0 0 1 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.934 107.8 52.5 -71.9 -44.3 8.1 65.8 21.2 96 97 A E H X S+ 0 0 74 -4,-2.1 4,-2.9 2,-0.3 -1,-0.2 0.833 108.0 49.1 -60.4 -39.7 5.3 68.6 21.8 97 98 A G H X S+ 0 0 17 -4,-0.6 4,-1.8 -5,-0.3 -1,-0.2 0.877 112.4 52.0 -68.8 -31.5 7.3 70.5 24.4 98 99 A I H X S+ 0 0 2 -4,-1.0 4,-1.3 2,-0.2 -2,-0.3 0.809 110.0 47.4 -71.1 -31.5 10.1 70.2 21.8 99 100 A L H X S+ 0 0 33 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.940 108.0 57.8 -74.9 -39.4 7.8 71.6 19.2 100 101 A D H X S+ 0 0 79 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.937 108.6 41.4 -51.5 -66.3 6.7 74.4 21.5 101 102 A L H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.893 111.3 60.2 -51.6 -40.4 10.2 75.9 22.2 102 103 A T H X S+ 0 0 26 -4,-1.3 4,-2.8 1,-0.2 -1,-0.2 0.954 109.3 40.7 -53.5 -54.3 10.9 75.5 18.4 103 104 A E H X S+ 0 0 90 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.930 110.6 60.0 -59.5 -43.7 8.1 77.7 17.5 104 105 A M H X S+ 0 0 46 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.905 109.8 42.0 -51.0 -46.1 9.0 80.0 20.3 105 106 A I H >X S+ 0 0 25 -4,-2.8 3,-1.2 1,-0.2 4,-0.6 0.945 109.1 59.4 -68.1 -45.0 12.3 80.6 18.8 106 107 A M H >< S+ 0 0 43 -4,-2.8 3,-1.5 1,-0.3 -2,-0.2 0.906 97.7 60.8 -46.3 -51.5 10.8 80.8 15.3 107 108 A Q H >X S+ 0 0 88 -4,-2.7 3,-2.5 1,-0.3 4,-1.5 0.830 86.6 75.2 -47.1 -41.2 8.8 83.7 16.4 108 109 A L H << S+ 0 0 12 -3,-1.2 3,-0.4 -4,-0.9 -1,-0.3 0.847 99.0 43.4 -42.5 -46.4 11.9 85.7 17.2 109 110 A V T << S+ 0 0 40 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 -0.047 118.4 46.4 -94.3 37.0 12.6 86.3 13.6 110 111 A I T <4 S+ 0 0 108 -3,-2.5 -2,-0.2 2,-0.0 -1,-0.2 0.412 89.3 99.3-147.5 -14.5 9.0 87.1 12.8 111 112 A C S < S- 0 0 18 -4,-1.5 5,-0.1 -3,-0.4 -3,-0.0 -0.293 87.2 -77.3 -83.3 163.2 7.8 89.5 15.6 112 113 A P > - 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0 0 23 -5,-1.2 -1,-0.3 -4,-0.2 2,-0.3 -0.963 47.1-138.4-119.6 128.5 38.8 120.6 23.8 248 29 C E - 0 0 134 -2,-0.5 2,-0.3 -26,-0.2 -5,-0.0 -0.634 27.4-169.4 -82.7 141.8 40.1 118.2 21.1 249 30 C F - 0 0 8 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.980 21.8-132.0-139.8 150.6 38.7 114.7 21.3 250 31 C D E -d 225 0B 83 -26,-2.9 -24,-3.0 -2,-0.3 2,-0.6 -0.777 18.4-151.9 -96.1 141.2 39.2 111.2 19.8 251 32 C E E -d 226 0B 20 -2,-0.4 2,-1.3 -26,-0.2 -24,-0.2 -0.855 2.8-159.9-121.2 97.4 36.2 109.4 18.6 252 33 C K E -d 227 0B 121 -26,-2.0 -24,-1.2 -2,-0.6 2,-0.4 -0.611 26.2-143.8 -75.2 94.8 36.4 105.5 18.7 253 34 C F E -d 228 0B 64 -2,-1.3 2,-1.1 -26,-0.2 -24,-0.2 -0.489 8.3-146.9 -70.5 121.0 33.7 104.7 16.2 254 35 C I E +d 229 0B 11 -26,-3.0 -24,-0.8 -2,-0.4 -1,-0.1 -0.757 31.9 162.1 -86.2 101.9 31.6 101.7 16.8 255 36 C Q + 0 0 148 -2,-1.1 -1,-0.2 -26,-0.2 3,-0.1 0.507 54.9 26.7-101.8 -8.2 30.9 100.7 13.2 256 37 C S S >> S- 0 0 59 1,-0.1 4,-1.5 -3,-0.1 3,-0.6 -0.997 78.8-104.3-156.0 156.8 29.8 97.1 13.7 257 38 C P H >> S+ 0 0 105 0, 0.0 4,-2.5 0, 0.0 3,-0.6 0.899 118.4 51.5 -42.2 -58.1 28.1 94.6 16.1 258 39 C E H 3> S+ 0 0 128 1,-0.3 4,-3.6 2,-0.2 5,-0.3 0.870 102.2 60.5 -51.9 -41.2 31.4 92.9 17.0 259 40 C D H <> S+ 0 0 53 -3,-0.6 4,-3.0 2,-0.2 5,-0.3 0.927 109.2 43.8 -53.4 -45.6 33.0 96.2 17.8 260 41 C L H S+ 0 0 14 -4,-3.0 5,-1.0 -5,-0.3 4,-1.0 0.876 111.3 53.1 -58.3 -34.1 34.5 96.8 23.5 264 45 C K H ><5S+ 0 0 49 -4,-2.0 3,-1.7 -5,-0.3 5,-0.3 0.968 104.5 50.7 -64.0 -52.8 32.3 94.9 25.9 265 46 C K H 3<5S+ 0 0 188 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.864 101.5 64.5 -54.6 -35.0 34.8 92.0 26.3 266 47 C D H 3<5S- 0 0 105 -4,-2.5 -1,-0.3 1,-0.1 -2,-0.2 0.878 104.4-138.2 -54.5 -38.8 37.4 94.8 27.0 267 48 C G T <<5 + 0 0 43 -3,-1.7 -3,-0.2 -4,-1.0 -2,-0.1 0.623 65.9 123.5 88.6 17.4 35.3 95.4 30.1 268 49 C N < + 0 0 44 -5,-1.0 2,-0.7 1,-0.1 -4,-0.1 0.337 51.6 84.6 -91.9 8.1 35.4 99.2 29.9 269 50 C L > - 0 0 5 -5,-0.3 3,-1.4 -6,-0.2 -1,-0.1 -0.892 64.8-157.6-114.2 104.3 31.6 99.6 29.9 270 51 C M T 3 S+ 0 0 44 -2,-0.7 -1,-0.1 13,-0.3 292,-0.1 0.809 97.0 15.8 -46.6 -41.9 30.2 99.6 33.4 271 52 C F T 3 S- 0 0 1 2,-0.2 -1,-0.3 291,-0.0 3,-0.1 0.110 115.3-101.4-120.4 18.5 26.7 98.6 32.2 272 53 C D S < S+ 0 0 62 -3,-1.4 2,-0.3 1,-0.2 -2,-0.1 0.886 87.4 108.1 62.5 43.9 27.7 97.5 28.7 273 54 C Q - 0 0 60 2,-0.1 -2,-0.2 -9,-0.0 -1,-0.2 -0.958 54.8-101.8-147.7 162.0 26.5 100.6 27.0 274 55 C V S S+ 0 0 21 -2,-0.3 2,-0.2 11,-0.1 -46,-0.1 -0.819 77.2 80.5-121.8 165.9 27.6 103.9 25.4 275 56 C P + 0 0 1 0, 0.0 11,-1.0 0, 0.0 2,-0.4 0.410 68.8 167.4 -56.7 145.7 28.1 106.8 25.3 276 57 C M E -EF 227 285B 0 -49,-1.3 -49,-3.0 -2,-0.2 2,-0.5 -0.985 17.7-165.6-141.0 130.5 31.3 105.9 27.0 277 58 C V E -EF 226 284B 0 7,-3.3 7,-2.8 -2,-0.4 2,-0.9 -0.968 15.0-148.7-127.9 116.5 34.1 108.4 27.4 278 59 C E E +EF 225 283B 59 -53,-2.4 -53,-2.0 -2,-0.5 2,-0.3 -0.755 42.9 152.3 -80.0 108.6 37.6 107.4 28.4 279 60 C I E > - 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0 0 14 70,-0.2 -1,-0.4 -3,-0.2 3,-0.1 -0.090 36.0 -96.8 63.8-167.6 27.7 127.8 36.6 303 84 C K S S+ 0 0 145 1,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.561 94.9 29.1-124.3 -21.9 29.3 129.2 39.7 304 85 C D S >> S- 0 0 60 1,-0.0 4,-2.0 -3,-0.0 3,-1.0 -0.956 83.6-104.9-139.0 160.6 27.1 128.2 42.6 305 86 C M H 3> S+ 0 0 46 -2,-0.3 4,-1.9 1,-0.3 5,-0.1 0.725 117.8 60.4 -56.9 -25.3 24.7 125.2 43.3 306 87 C K H 3> S+ 0 0 77 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.886 105.5 46.1 -72.0 -35.7 21.8 127.5 42.7 307 88 C E H <> S+ 0 0 29 -3,-1.0 4,-3.2 2,-0.2 -2,-0.2 0.906 111.1 53.2 -71.5 -39.4 22.8 128.2 39.1 308 89 C R H X S+ 0 0 60 -4,-2.0 4,-3.2 2,-0.2 -2,-0.2 0.894 104.3 56.5 -61.4 -39.1 23.5 124.5 38.6 309 90 C A H X S+ 0 0 2 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.934 112.4 40.9 -57.0 -47.7 20.0 123.7 39.8 310 91 C L H X S+ 0 0 52 -4,-1.6 4,-2.7 2,-0.2 5,-0.3 0.919 113.1 54.0 -66.0 -44.7 18.6 126.0 37.1 311 92 C I H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 -2,-0.2 0.917 111.7 47.9 -55.0 -42.9 21.2 124.7 34.6 312 93 C D H X S+ 0 0 9 -4,-3.2 4,-3.0 2,-0.2 5,-0.3 0.959 109.8 47.9 -64.5 -55.9 19.8 121.3 35.4 313 94 C M H X S+ 0 0 11 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.924 117.1 45.4 -52.1 -45.7 16.1 122.0 35.2 314 95 C Y H X S+ 0 0 25 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.955 112.9 48.6 -62.2 -54.8 16.7 123.7 31.8 315 96 C S H X S+ 0 0 2 -4,-2.9 4,-3.8 -5,-0.3 -2,-0.2 0.893 110.7 50.8 -53.6 -47.4 19.0 120.9 30.5 316 97 C E H X S+ 0 0 14 -4,-3.0 4,-3.5 2,-0.2 5,-0.3 0.921 108.7 52.3 -59.7 -43.8 16.6 118.2 31.4 317 98 C G H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.3 5,-0.2 0.986 114.5 41.6 -54.0 -59.1 13.8 120.0 29.7 318 99 C I H X S+ 0 0 3 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.921 115.4 53.1 -51.3 -49.3 15.9 120.3 26.5 319 100 C L H X S+ 0 0 25 -4,-3.8 4,-2.5 2,-0.2 -1,-0.2 0.934 110.2 44.6 -52.1 -58.7 17.1 116.7 27.1 320 101 C D H X S+ 0 0 34 -4,-3.5 4,-1.9 1,-0.2 -1,-0.2 0.934 114.2 50.0 -53.6 -49.9 13.6 115.3 27.4 321 102 C L H X S+ 0 0 0 -4,-2.9 4,-1.9 -5,-0.3 -1,-0.2 0.915 108.5 53.4 -56.6 -43.6 12.4 117.3 24.4 322 103 C T H X S+ 0 0 24 -4,-3.2 4,-1.8 -5,-0.2 -1,-0.2 0.930 105.9 53.3 -57.6 -45.9 15.4 116.1 22.4 323 104 C E H X S+ 0 0 85 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.869 105.3 54.1 -56.8 -41.4 14.5 112.4 23.2 324 105 C M H < S+ 0 0 60 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.912 108.2 49.4 -61.5 -42.6 11.0 112.9 22.0 325 106 C I H >< S+ 0 0 12 -4,-1.9 3,-0.8 2,-0.2 -1,-0.2 0.820 107.1 57.3 -68.6 -27.5 12.3 114.2 18.6 326 107 C M H >< S+ 0 0 39 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.996 100.6 53.5 -64.9 -59.3 14.7 111.2 18.4 327 108 C Q G >X S+ 0 0 91 -4,-2.0 3,-1.6 1,-0.3 4,-0.7 0.514 80.9 98.4 -54.7 -3.3 12.0 108.5 18.6 328 109 C L G <4 S+ 0 0 35 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.1 0.636 95.8 29.2 -62.6 -14.8 10.2 110.3 15.7 329 110 C V G <4 S+ 0 0 84 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.082 110.8 65.3-132.6 24.7 11.8 107.7 13.4 330 111 C I T <4 S+ 0 0 102 -3,-1.6 -2,-0.2 -4,-0.0 -3,-0.1 0.317 87.9 84.2-124.2 0.3 12.1 104.6 15.6 331 112 C C S < S- 0 0 16 -4,-0.7 5,-0.1 1,-0.1 -3,-0.0 -0.258 99.6 -73.4 -95.6 179.3 8.4 104.1 16.1 332 113 C P > - 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0 0 23 1,-0.2 -1,-0.5 70,-0.1 3,-0.1 -0.254 41.2 -90.1 63.6-158.5 30.9 113.0 47.2 511 84 D K S S+ 0 0 138 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.422 94.0 24.4-132.0 -4.5 33.6 115.6 47.8 512 85 D D S >> S- 0 0 67 -3,-0.2 4,-2.4 1,-0.1 3,-0.6 -0.989 83.8 -91.5-158.4 163.6 35.1 116.2 44.3 513 86 D M H 3> S+ 0 0 58 -2,-0.3 4,-2.7 1,-0.3 5,-0.2 0.850 120.1 49.5 -40.2 -59.2 34.5 116.1 40.6 514 87 D K H 3> S+ 0 0 82 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.868 112.7 47.5 -53.8 -42.4 35.8 112.6 40.0 515 88 D E H <> S+ 0 0 35 -3,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.885 110.7 52.4 -67.8 -37.9 33.7 111.2 42.9 516 89 D R H X S+ 0 0 51 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.917 105.9 54.1 -64.3 -41.5 30.6 113.0 41.6 517 90 D A H X S+ 0 0 1 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.926 110.7 46.0 -58.9 -45.1 31.2 111.5 38.2 518 91 D L H X S+ 0 0 56 -4,-1.8 4,-3.2 2,-0.2 5,-0.3 0.978 112.6 49.7 -61.0 -53.4 31.2 108.0 39.7 519 92 D I H X S+ 0 0 0 -4,-2.8 4,-3.3 1,-0.2 -2,-0.2 0.890 112.0 50.5 -52.1 -39.9 28.2 108.8 41.8 520 93 D D H X S+ 0 0 10 -4,-3.1 4,-2.9 2,-0.2 -1,-0.2 0.967 110.8 46.3 -64.4 -53.2 26.5 110.1 38.6 521 94 D M H X S+ 0 0 12 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.932 116.9 45.0 -55.1 -48.1 27.3 107.0 36.6 522 95 D Y H X S+ 0 0 24 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.950 112.0 52.9 -60.1 -49.1 26.2 104.7 39.4 523 96 D S H X S+ 0 0 3 -4,-3.3 4,-2.0 -5,-0.3 -1,-0.2 0.859 109.4 48.5 -54.6 -42.3 23.1 106.9 39.9 524 97 D E H X S+ 0 0 15 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.889 107.8 53.2 -68.8 -40.5 22.2 106.6 36.3 525 98 D G H X S+ 0 0 0 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.923 111.7 47.9 -59.8 -40.5 22.6 102.8 36.2 526 99 D I H X S+ 0 0 2 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.870 110.7 50.4 -66.9 -38.0 20.2 102.7 39.2 527 100 D L H X S+ 0 0 35 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.820 106.4 57.0 -71.4 -28.5 17.7 105.0 37.5 528 101 D D H X S+ 0 0 37 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.910 110.3 41.2 -68.1 -45.9 17.7 102.9 34.4 529 102 D L H X S+ 0 0 0 -4,-1.5 4,-3.2 2,-0.2 5,-0.3 0.890 110.1 57.7 -69.8 -42.1 16.7 99.7 36.1 530 103 D T H X S+ 0 0 29 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.965 108.1 48.2 -52.4 -50.7 14.2 101.3 38.3 531 104 D E H X S+ 0 0 104 -4,-1.8 4,-2.6 2,-0.2 3,-0.3 0.907 110.6 50.3 -57.0 -47.6 12.4 102.6 35.2 532 105 D M H X S+ 0 0 51 -4,-1.9 4,-1.1 1,-0.3 -1,-0.2 0.958 108.8 51.5 -55.6 -52.4 12.5 99.1 33.6 533 106 D I H X S+ 0 0 9 -4,-3.2 4,-0.6 1,-0.2 -1,-0.3 0.831 112.8 49.3 -55.3 -29.1 11.0 97.6 36.6 534 107 D M H >< S+ 0 0 36 -4,-1.8 3,-0.7 -3,-0.3 -2,-0.2 0.870 98.6 59.9 -81.2 -38.5 8.4 100.3 36.4 535 108 D Q H >X S+ 0 0 81 -4,-2.6 4,-2.7 1,-0.3 3,-1.2 0.717 96.8 68.7 -62.7 -16.7 7.4 100.0 32.7 536 109 D L H 3< S+ 0 0 12 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.955 99.3 45.7 -63.3 -47.6 6.5 96.5 33.8 537 110 D V T << S+ 0 0 32 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.197 123.4 37.1 -82.2 20.0 3.7 97.9 35.8 538 111 D I T <4 S+ 0 0 115 -3,-1.2 -2,-0.2 2,-0.1 -1,-0.2 0.475 92.1 101.0-140.3 -22.1 2.7 100.1 32.9 539 112 D C S < S- 0 0 15 -4,-2.7 5,-0.1 -5,-0.2 -3,-0.0 -0.283 88.1 -79.8 -73.1 155.3 3.3 98.0 29.8 540 113 D P >> - 0 0 61 0, 0.0 3,-2.3 0, 0.0 4,-0.6 -0.336 35.2-134.2 -55.1 128.3 0.5 96.1 27.9 541 114 D P H 3> S+ 0 0 107 0, 0.0 4,-0.6 0, 0.0 3,-0.4 0.752 100.3 78.8 -55.7 -24.1 -0.3 92.9 29.7 542 115 D D H 34 S+ 0 0 136 1,-0.3 -3,-0.0 2,-0.1 0, 0.0 0.792 115.6 12.5 -55.2 -34.1 -0.2 91.2 26.3 543 116 D Q H <> S+ 0 0 42 -3,-2.3 4,-1.6 2,-0.1 3,-0.4 0.193 91.4 112.2-132.7 17.6 3.6 91.3 26.6 544 117 D K H X S+ 0 0 88 -4,-0.6 4,-2.3 -3,-0.4 5,-0.2 0.915 76.7 61.1 -57.5 -40.7 4.2 92.1 30.3 545 118 D E H X S+ 0 0 112 -4,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.842 103.8 44.9 -54.1 -46.4 5.6 88.6 30.7 546 119 D A H > S+ 0 0 6 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.858 111.9 53.8 -69.3 -35.5 8.4 88.8 28.3 547 120 D K H X S+ 0 0 51 -4,-1.6 4,-3.2 2,-0.2 5,-0.2 0.918 103.8 55.1 -64.7 -45.0 9.4 92.2 29.6 548 121 D T H X S+ 0 0 25 -4,-2.3 4,-3.5 1,-0.2 5,-0.2 0.937 106.9 51.8 -52.7 -48.5 9.6 90.9 33.2 549 122 D A H X S+ 0 0 8 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.909 111.4 46.4 -55.9 -45.3 12.1 88.2 31.9 550 123 D L H X S+ 0 0 25 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.916 113.3 49.1 -64.8 -41.8 14.2 90.9 30.3 551 124 D A H X S+ 0 0 2 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.916 112.4 47.8 -64.8 -40.7 14.0 93.1 33.4 552 125 D K H X S+ 0 0 61 -4,-3.5 4,-2.2 -5,-0.2 5,-0.3 0.921 111.1 52.0 -66.9 -39.4 15.0 90.1 35.6 553 126 D D H X S+ 0 0 59 -4,-2.7 4,-2.6 -5,-0.2 5,-0.3 0.950 110.9 46.0 -59.8 -55.5 17.9 89.3 33.2 554 127 D R H X>S+ 0 0 40 -4,-2.8 5,-2.2 3,-0.2 4,-2.2 0.918 110.3 57.3 -53.6 -45.1 19.3 92.8 33.3 555 128 D T H <>S+ 0 0 0 -4,-2.4 5,-2.7 -5,-0.2 -2,-0.2 0.950 118.5 26.0 -51.7 -61.9 18.9 92.8 37.1 556 129 D K H <5S+ 0 0 95 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.702 129.0 42.1 -81.3 -18.7 21.0 89.8 37.9 557 130 D N H <5S+ 0 0 93 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.533 131.7 9.2-106.4 -6.9 23.3 89.8 34.8 558 131 D R T X5S+ 0 0 35 -4,-2.2 4,-2.1 -5,-0.3 -3,-0.2 0.564 126.2 36.5-133.7 -60.1 24.1 93.5 34.5 559 132 D Y H > S+ 0 0 41 0, 0.0 4,-3.5 0, 0.0 3,-0.3 0.951 108.7 49.7 -53.2 -53.5 26.7 92.4 39.2 562 135 D A H X S+ 0 0 9 -4,-2.1 4,-2.2 1,-0.3 -2,-0.2 0.903 115.2 43.0 -52.5 -46.5 28.0 95.8 38.4 563 136 D F H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.3 0.774 113.6 51.6 -72.4 -26.0 27.2 97.2 41.9 564 137 D E H X S+ 0 0 22 -4,-2.4 4,-2.3 -3,-0.3 -2,-0.2 0.916 108.4 52.6 -73.4 -40.5 28.5 94.0 43.5 565 138 D K H X S+ 0 0 134 -4,-3.5 4,-3.0 -5,-0.3 -2,-0.2 0.923 107.1 52.5 -58.2 -46.2 31.7 94.5 41.5 566 139 D V H X S+ 0 0 14 -4,-2.2 4,-1.0 1,-0.2 5,-0.3 0.928 109.5 48.6 -55.9 -49.4 31.9 98.1 42.8 567 140 D L H X S+ 0 0 10 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.863 114.8 45.3 -61.8 -35.6 31.6 96.8 46.4 568 141 D K H < S+ 0 0 163 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.933 100.8 66.6 -75.7 -44.0 34.2 94.2 45.9 569 142 D S H < S+ 0 0 98 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.753 120.8 16.4 -47.4 -38.9 36.8 96.4 44.0 570 143 D H H < S- 0 0 67 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.509 87.9-140.3-115.1 -11.6 37.6 98.6 47.0 571 144 D G < + 0 0 66 -4,-1.0 2,-0.2 -5,-0.3 -3,-0.1 0.683 52.1 143.4 58.5 20.4 36.1 96.6 49.9 572 145 D Q - 0 0 85 -5,-0.2 -1,-0.2 2,-0.2 -2,-0.1 -0.545 61.5-117.8 -90.6 159.2 34.8 99.8 51.5 573 146 D D S S+ 0 0 83 -2,-0.2 2,-0.3 5,-0.1 -1,-0.1 0.608 94.8 44.8 -69.9 -17.0 31.5 100.2 53.5 574 147 D Y S S- 0 0 46 1,-0.1 4,-0.5 -7,-0.1 -2,-0.2 -0.926 85.8-114.5-129.3 156.5 30.0 102.7 51.0 575 148 D L S S+ 0 0 2 -2,-0.3 2,-0.4 1,-0.2 -3,-0.1 0.887 100.0 21.3 -53.0 -47.3 29.8 103.0 47.2 576 149 D V S > S- 0 0 7 3,-0.4 3,-1.2 1,-0.1 -1,-0.2 -0.990 129.5 -12.3-133.7 132.7 32.0 106.1 47.1 577 150 D G T 3 S- 0 0 31 -2,-0.4 -2,-0.1 1,-0.2 -1,-0.1 0.685 98.8 -88.5 55.2 30.6 34.5 107.6 49.4 578 151 D N T 3 S+ 0 0 63 -4,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.797 106.8 97.7 38.4 38.5 33.7 105.5 52.5 579 152 D K S < S- 0 0 148 -3,-1.2 -3,-0.4 -71,-0.0 2,-0.3 -0.952 89.7 -91.0-144.9 150.3 31.1 108.1 53.4 580 153 D L + 0 0 41 -2,-0.3 2,-0.3 -6,-0.1 -70,-0.1 -0.541 51.5 174.1 -68.7 127.5 27.4 108.0 52.7 581 154 D T >> - 0 0 4 -2,-0.3 4,-1.0 -72,-0.1 3,-0.8 -0.779 49.1 -91.7-123.1 177.4 26.6 109.6 49.4 582 155 D R H >> S+ 0 0 8 -74,-3.4 4,-2.4 -2,-0.3 3,-0.6 0.874 120.0 62.1 -59.5 -39.1 23.4 109.9 47.5 583 156 D V H 3> S+ 0 0 0 -75,-0.3 4,-3.3 1,-0.2 -1,-0.2 0.842 95.4 60.9 -58.4 -34.2 24.1 106.8 45.5 584 157 D D H <> S+ 0 0 0 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.920 110.0 41.2 -57.9 -43.1 24.1 104.6 48.6 585 158 D I H < - 0 0 38 -4,-3.5 3,-1.8 -5,-0.1 4,-0.2 -0.431 53.0-166.7-179.7 94.9 11.6 89.4 43.2 599 172 D A G >X S+ 0 0 41 -4,-1.0 3,-2.0 1,-0.3 4,-0.8 0.769 83.9 77.0 -61.7 -25.2 13.8 89.0 46.3 600 173 D S G 34 S+ 0 0 78 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.735 85.3 67.2 -59.4 -17.7 15.2 85.7 45.0 601 174 D L G <4 S+ 0 0 17 -3,-1.8 3,-0.5 -7,-0.2 -1,-0.3 0.708 91.3 57.5 -74.2 -25.4 17.3 88.0 42.6 602 175 D L T X4 S+ 0 0 21 -3,-2.0 3,-2.7 -4,-0.2 -1,-0.2 0.806 82.1 96.3 -72.3 -32.1 19.4 89.5 45.5 603 176 D T T 3< S+ 0 0 80 -4,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.634 79.5 47.4 -27.5 -46.3 20.5 86.0 46.4 604 177 D S T 3 S+ 0 0 90 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.1 0.228 94.7 82.3 -91.5 17.4 23.8 85.9 44.5 605 178 D F <> + 0 0 18 -3,-2.7 4,-2.9 1,-0.2 5,-0.2 -0.580 47.7 168.9-125.6 75.9 25.0 89.3 45.7 606 179 D P H > S+ 0 0 87 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.882 82.1 45.8 -46.3 -57.7 26.6 88.8 49.2 607 180 D L H > S+ 0 0 62 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.916 113.2 49.5 -58.3 -44.1 28.1 92.2 49.4 608 181 D L H > S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.892 110.4 52.2 -64.6 -34.4 24.9 93.8 48.1 609 182 D K H X S+ 0 0 95 -4,-2.9 4,-1.4 2,-0.2 -1,-0.2 0.882 112.7 43.9 -67.9 -38.8 23.0 91.8 50.7 610 183 D A H X S+ 0 0 43 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.930 112.7 53.5 -70.6 -42.8 25.3 93.2 53.4 611 184 D F H X S+ 0 0 0 -4,-3.3 4,-2.6 1,-0.2 5,-0.4 0.922 103.9 55.2 -55.9 -50.0 25.1 96.6 52.0 612 185 D K H X S+ 0 0 26 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.905 109.8 46.0 -52.2 -46.8 21.3 96.7 52.0 613 186 D S H X S+ 0 0 72 -4,-1.4 4,-0.7 2,-0.2 -1,-0.2 0.890 111.4 53.4 -65.7 -38.4 21.2 95.9 55.7 614 187 D R H >< S+ 0 0 77 -4,-2.1 3,-1.3 2,-0.2 -2,-0.2 0.973 114.6 37.5 -62.2 -57.5 23.8 98.5 56.5 615 188 D I H >< S+ 0 0 0 -4,-2.6 3,-2.7 1,-0.3 6,-0.2 0.929 111.1 61.0 -62.0 -41.8 22.2 101.4 54.8 616 189 D S H 3< S+ 0 0 27 -4,-2.5 -1,-0.3 -5,-0.4 -2,-0.2 0.696 100.0 59.6 -57.7 -17.4 18.8 100.2 56.0 617 190 D S T << S+ 0 0 73 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.435 70.4 118.6 -92.3 -1.7 20.2 100.6 59.5 618 191 D L S X> S- 0 0 38 -3,-2.7 4,-2.5 -4,-0.2 3,-0.6 -0.566 73.5-125.4 -65.1 121.8 20.9 104.4 59.2 619 192 D P H 3> S+ 0 0 89 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.794 108.9 43.9 -35.3 -51.8 18.6 106.0 61.9 620 193 D N H 3> S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.921 113.7 50.3 -65.5 -43.2 16.9 108.3 59.5 621 194 D V H <> S+ 0 0 2 -3,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.860 107.6 56.2 -63.0 -34.9 16.5 105.6 56.9 622 195 D K H >X S+ 0 0 101 -4,-2.5 4,-1.1 2,-0.2 3,-0.6 0.963 108.3 45.3 -62.4 -52.0 15.0 103.4 59.6 623 196 D K H >< S+ 0 0 115 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.936 110.4 56.0 -57.0 -46.9 12.3 105.9 60.5 624 197 D F H 3< S+ 0 0 6 -4,-2.4 7,-0.4 1,-0.3 -1,-0.2 0.798 107.5 47.3 -56.7 -35.3 11.6 106.5 56.8 625 198 D L H << S+ 0 0 62 -4,-1.6 -1,-0.3 -3,-0.6 -2,-0.2 0.656 101.9 82.4 -82.8 -15.2 10.9 102.8 56.2 626 199 D Q S X< S- 0 0 103 -4,-1.1 3,-0.8 -3,-1.1 5,-0.2 -0.225 93.8 -77.2 -82.5 173.8 8.7 102.5 59.2 627 200 D P T 3 S+ 0 0 127 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.205 109.3 36.6 -67.0 162.3 5.0 103.5 59.4 628 201 D G T 3 S+ 0 0 94 1,-0.2 2,-0.1 3,-0.1 -4,-0.1 0.377 91.3 119.5 77.3 -4.5 3.7 107.1 59.7 629 202 D S S < S- 0 0 39 -3,-0.8 -1,-0.2 -6,-0.2 -5,-0.1 -0.309 80.3-106.4 -87.5 173.9 6.5 108.3 57.4 630 203 D Q S S+ 0 0 45 -3,-0.1 2,-0.1 -183,-0.1 -183,-0.1 0.453 77.3 127.4 -78.9 -1.7 6.2 110.1 54.0 631 204 D R - 0 0 43 -7,-0.4 2,-0.2 -5,-0.2 -3,-0.1 -0.374 54.6-137.1 -59.3 125.4 7.4 106.9 52.2 632 205 D K - 0 0 20 -2,-0.1 -1,-0.1 1,-0.1 -193,-0.1 -0.488 16.6 -97.2 -87.9 162.7 4.9 106.0 49.5 633 206 D L - 0 0 142 -2,-0.2 -193,-0.7 1,-0.1 -1,-0.1 -0.384 42.1 -93.3 -80.5 152.5 3.3 102.7 48.5 634 207 D P - 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -41,-0.0 -0.377 45.1-107.1 -65.4 138.2 4.5 100.4 45.7 635 208 D M - 0 0 64 -2,-0.1 -2,-0.0 -194,-0.1 -101,-0.0 0.815 42.4-166.2 -27.0-112.7 2.7 100.9 42.3 636 209 D D > - 0 0 44 3,-0.1 4,-1.4 2,-0.0 5,-0.1 0.096 26.1 -97.1 116.6 141.4 0.2 98.1 41.4 637 210 D A H >> S+ 0 0 77 2,-0.2 3,-1.4 1,-0.2 4,-0.7 0.934 111.5 8.0 -46.1 -96.6 -1.7 96.8 38.3 638 211 D K H >> S+ 0 0 83 1,-0.3 4,-1.4 2,-0.2 3,-0.5 0.847 123.8 70.8 -62.0 -29.8 -5.3 98.0 38.2 639 212 D Q H 34 S+ 0 0 44 1,-0.2 -1,-0.3 2,-0.2 5,-0.2 0.751 85.7 65.6 -58.5 -27.0 -4.4 100.3 41.1 640 213 D I H XX S+ 0 0 43 -3,-1.4 4,-2.4 -4,-1.4 3,-1.0 0.970 112.6 32.6 -59.9 -51.2 -2.2 102.4 38.8 641 214 D E H << S+ 0 0 81 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.625 111.7 67.1 -77.9 -15.1 -5.4 103.4 37.0 642 215 D E T 3< S+ 0 0 83 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.256 116.7 26.0 -86.4 8.9 -7.2 103.2 40.4 643 216 D A T <4 0 0 92 -3,-1.0 -2,-0.2 1,-0.4 -3,-0.2 0.430 360.0 360.0-137.3 -33.3 -5.1 106.2 41.4 644 217 D R < 0 0 114 -4,-2.4 -1,-0.4 -5,-0.2 0, 0.0 -0.969 360.0 360.0-119.7 360.0 -4.3 107.9 38.1